1-(2-bromoethoxy)-2,2,2-trichloroethanol

C4H6BrCl3O2 — CID 56984427

IUPAC1-(2-bromoethoxy)-2,2,2-trichloroethanol
SMILESOC(OCCBr)C(Cl)(Cl)Cl
InChIInChI=1S/C4H6BrCl3O2/c5-1-2-10-3(9)4(6,7)8/h3,9H,1-2H2
InChIKeyIVLSOZASSPAMEI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-bromoethoxy)-2,2,2-trichloroethanol

1-(2-bromoethoxy)-2,2,2-trichloroethanol (PubChem CID 56984427) has the molecular formula C4H6BrCl3O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2,2,2-trichloroethanol.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2,2,2-trichloroethanol
PubChem CID56984427
Molecular FormulaC4H6BrCl3O2
Molecular Weight272.35 g/mol
Exact Mass269.86
IUPAC Name1-(2-bromoethoxy)-2,2,2-trichloroethanol
SMILESOC(OCCBr)C(Cl)(Cl)Cl
InChIInChI=1S/C4H6BrCl3O2/c5-1-2-10-3(9)4(6,7)8/h3,9H,1-2H2
InChIKeyIVLSOZASSPAMEI-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-bromoethoxy)-2,2,2-trichloroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-2,2,2-trichloroethanol?
The IUPAC name of 1-(2-bromoethoxy)-2,2,2-trichloroethanol (CID 56984427) is 1-(2-bromoethoxy)-2,2,2-trichloroethanol.
What is the SMILES notation for 1-(2-bromoethoxy)-2,2,2-trichloroethanol?
The canonical SMILES for 1-(2-bromoethoxy)-2,2,2-trichloroethanol is OC(OCCBr)C(Cl)(Cl)Cl.
What is the InChIKey of 1-(2-bromoethoxy)-2,2,2-trichloroethanol?
The InChIKey is IVLSOZASSPAMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrCl3O2/c5-1-2-10-3(9)4(6,7)8/h3,9H,1-2H2.
What are the key properties of 1-(2-bromoethoxy)-2,2,2-trichloroethanol?
1-(2-bromoethoxy)-2,2,2-trichloroethanol has a molecular weight of 272.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2,2,2-trichloroethanol is sourced from PubChem (CID 56984427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).